N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H24N4O2 — CID 55909145

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)C(C)C)cc1
InChIInChI=1S/C24H24N4O2/c1-16(2)22(18-9-11-19(30-3)12-10-18)27-24(29)20-15-26-28-21(13-14-25-23(20)28)17-7-5-4-6-8-17/h4-16,22H,1-3H3,(H,27,29)
InChIKeyKBCUKDRVOIXYOM-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.53
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55909145) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55909145
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)C(C)C)cc1
InChIInChI=1S/C24H24N4O2/c1-16(2)22(18-9-11-19(30-3)12-10-18)27-24(29)20-15-26-28-21(13-14-25-23(20)28)17-7-5-4-6-8-17/h4-16,22H,1-3H3,(H,27,29)
InChIKeyKBCUKDRVOIXYOM-UHFFFAOYSA-N
XLogP4.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55909145) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KBCUKDRVOIXYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16(2)22(18-9-11-19(30-3)12-10-18)27-24(29)20-15-26-28-21(13-14-25-23(20)28)17-7-5-4-6-8-17/h4-16,22H,1-3H3,(H,27,29).
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55909145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).